CID 53403026

1060806-87-2

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

CC(=O)C1=C(N=C(C=C1)Cl)OC

InChI

InChI=1S/C8H8ClNO2/c1-5(11)6-3-4-7(9)10-8(6)12-2/h3-4H,1-2H3

InChIKey

ZXNBEQZZKUIUJK-UHFFFAOYSA-N

Compound name

1-(6-chloro-2-methoxypyridin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 185.02435 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.03163	134.1
[M+Na]+	208.01357	148.5
[M+NH4]+	203.05817	142.5
[M+K]+	223.98751	142.2
[M-H]-	184.01707	135.4
[M+Na-2H]-	205.99902	141.1
[M]+	185.02380	136.8
[M]-	185.02490	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe